(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

C22H30N2O4 — CID 124864115

IUPAC(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CC2=O)c1C
InChIInChI=1S/C22H30N2O4/c1-14-6-5-7-19(16(14)3)24-12-18(10-20(24)25)21(26)23-11-15(2)28-22(13-23)8-9-27-17(22)4/h5-7,15,17-18H,8-13H2,1-4H3/t15-,17-,18+,22-/m0/s1
InChIKeyWQJHDHNHAHVXPZ-FCQWJQKHSA-N
MW386.49 g/mol
LogP2.45
Rot. Bonds2

About (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 124864115) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID124864115
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CC2=O)c1C
InChIInChI=1S/C22H30N2O4/c1-14-6-5-7-19(16(14)3)24-12-18(10-20(24)25)21(26)23-11-15(2)28-22(13-23)8-9-27-17(22)4/h5-7,15,17-18H,8-13H2,1-4H3/t15-,17-,18+,22-/m0/s1
InChIKeyWQJHDHNHAHVXPZ-FCQWJQKHSA-N
XLogP2.45
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 37033772
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641
6-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137380
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438172
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 119638157
1-(2,3-dimethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56533644

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 124864115) is (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CC2=O)c1C.
What is the InChIKey of (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is WQJHDHNHAHVXPZ-FCQWJQKHSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-14-6-5-7-19(16(14)3)24-12-18(10-20(24)25)21(26)23-11-15(2)28-22(13-23)8-9-27-17(22)4/h5-7,15,17-18H,8-13H2,1-4H3/t15-,17-,18+,22-/m0/s1.
What are the key properties of (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
(4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 386.49 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S,5S,7S)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124864115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).